ChemSpider 2D Image | (2S,3R,4R,5S,6E)-4-Acetoxy-2-amino-3,5,14-trihydroxy-6-icosenoic acid | C22H41NO7

(2S,3R,4R,5S,6E)-4-Acetoxy-2-amino-3,5,14-trihydroxy-6-icosenoic acid

  • Molecular FormulaC22H41NO7
  • Average mass431.563 Da
  • Monoisotopic mass431.288300 Da
  • ChemSpider ID22842362

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3R,4R,5S,6E)-4-Acetoxy-2-amino-3,5,14-trihydroxy-6-icosenoic acid [ACD/IUPAC Name]
(2S,3R,4R,5S,6E)-4-Acetoxy-2-amino-3,5,14-trihydroxy-6-icosensäure [German] [ACD/IUPAC Name]
6-Eicosenoic acid, 4-(acetyloxy)-2-amino-3,5,14-trihydroxy-, (2S,3R,4R,5S,6E)- [ACD/Index Name]
Acide (2S,3R,4R,5S,6E)-4-acétoxy-2-amino-3,5,14-trihydroxy-6-icosénoïque [French] [ACD/IUPAC Name]
(E,2S,3R,4R,5S)-4-Acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid
110231-33-9 [RN]
Fumifungin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 627.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 333.5±31.5 °C
Index of Refraction: 1.516
Molar Refractivity: 115.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.16
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.93
Polar Surface Area: 150 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 381.5±3.0 cm3

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